MMsINC Database Search


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MMsINC code: MMs03542819

Type: Neutral
Formula: C₁₄H₁₂N₂O₃

SMILES:

OC(=O)c1ccc(N(C(=O)N)c2ccccc2)cc1

InChI:

InChI=1/C14H12N2O3/c15-14(19)16(11-4-2-1-3-5-11)12-8-6-10(7-9-12)13(17)18/h1-9H,(H2,15,19)(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5985 kcal/mol

Physical Properties
Molecular Weight: 256.261 g/mol	logS: -3.22145	SlogP: 2.6016	Reactive groups: 0

Topological Properties
Globularity: 0.149196	Sterimol/B1: 2.20899	Sterimol/B2: 3.5037	Sterimol/B3: 3.92806
Sterimol/B4: 6.74165	Sterimol/L: 13.7806

Surface and Volume Properties
Accessible surface: 466.481	Positive charged surface: 260.546	Negative charged surface: 205.934	Volume: 236.375
Hydrophobic surface: 282.014	Hydrophilic surface: 184.467

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03542820
PUBCHEM-ZINC06096721